SCHEMBL7438946

SCHEMBL7438946

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(O)C(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALOX5 P09917 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
PTPN1 P18031 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
KLK5 Q9Y337 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7431998 0.89 L3MBTL1 (0.46) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL7441219 0.86 POLB (0.46) SMN1; SMN2MEN1KMT2ACTSKALDH1A1
SCHEMBL7429906 0.84 CTSK (0.49) KLK5CTSSCTSK
SCHEMBL7449272 0.82 CTSK (0.52) MAPTALOX5CYP2D6CYP2C9CYP2C19
SCHEMBL1019102 0.80 MAPT (0.55) MAPTALOX5CYP2D6CYP2C9CYP2C19
SCHEMBL7438937 0.78 OPRM1 (0.43) MAPTALOX5CYP2D6CYP2C9CYP2C19
SCHEMBL7445430 0.77 BACE1 (0.40) CTSSCTSKALDH1A1
SCHEMBL7434164 0.77 GAA (0.40) PSMB1CTSSCTSK
SCHEMBL28096705 0.75 MAPT (0.50) MAPTALOX5CYP2D6CYP2C9CYP2C19
SCHEMBL10521504 0.74 KLK5 (0.58) MAPTALOX5CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed